5-(2-bromanyl-5-methyl-phenyl)-2-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(2-bromanyl-5-methyl-phenyl)-2-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-bromo-5-methyl-phenyl)-2-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-bromo-5-methylphenyl)-2-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(2-bromo-5-methylphenyl)-2-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-bromo-5-methyl-phenyl)-2-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Br)C2=CSC3=C2C(=O)NC(=N3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)Br)C2=CSC3=C2C(=O)NC(=N3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H17BrN2O3S/c1-11-4-6-15(22)13(8-11)14-10-28-21-18(14)20(25)23-19(24-21)12-5-7-16(26-2)17(9-12)27-3/h4-10H,1-3H3,(H,23,24,25)